Chemical Properties of 6,11-Dihydro-6,11-dioxo-5a,12-diazabenzo[b] cycloheptano [a]-indene (CAS 97999-91-2)

6,11-Dihydro-6,11-dioxo-5a,12-diazabenzo[b] cycloheptano [a]-indene

InChI
InChI=1S/C16H14N2O2/c19-15-10-6-3-4-7-11(10)16(20)14-13(15)17-12-8-2-1-5-9-18(12)14/h3-4,6-7H,1-2,5,8-9H2
InChI Key
UWKDSXGQTWYWMY-UHFFFAOYSA-N
Formula
C16H14N2O2
SMILES
O=C1c2ccccc2C(=O)c2c1nc1n2CCCCC1
Molecular Weight1
266.29
CAS
97999-91-2
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Physical Properties

Property Value Unit Source
ω 0.7221 Relay (1.0) Calculated Property
ΔfG° 89.14 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -73.46 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 100.52 kJ/mol Relay (1.0) Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
log10WS -4.10 Relay (1.0) Calculated Property
logPoct/wat 2.385 Crippen Calculated Property
McVol 194.460 ml/mol McGowan Calculated Property
Pc 2260.96 kPa Relay (1.0-beta) Calculated Property
Tboil 693.07 K Relay (1.0) Calculated Property
Tc 1036.28 K Relay (1.0) Calculated Property
Tfus 522.89 K Relay (1.0) Calculated Property
Vc 0.740 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. ethyl eburnamenine-14-carboxylate. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. acetylepibaptifoline. Strychnine. Benzylmorphine. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Methysergide. Buprenorphine. QUINIDINE, M(HO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Codeine-propionyl. Ergotamine. Dihydroergokryptine.

Find more compounds similar to 6,11-Dihydro-6,11-dioxo-5a,12-diazabenzo[b] cycloheptano [a]-indene.

Sources

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